(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine

C8H11BrN2 — CID 68652993

IUPAC(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3/t8-/m1/s1
InChIKeyUPGPOIOZNZTLTF-MRVPVSSYSA-N
MW215.09 g/mol
LogP2.25
Rot. Bonds2

About (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine (PubChem CID 68652993) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
PubChem CID68652993
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3/t8-/m1/s1
InChIKeyUPGPOIOZNZTLTF-MRVPVSSYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine (CID 68652993) is (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine is CC[C@@H](N)c1cncc(Br)c1.
What is the InChIKey of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine?
The InChIKey is UPGPOIOZNZTLTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-8(10)6-3-7(9)5-11-4-6/h3-5,8H,2,10H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine?
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine has a molecular weight of 215.09 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 68652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).